ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate

C16H32N2O2 — CID 79649720

IUPACethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCC(N(CC)CC(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-6-17-16(15(19)20-8-3)10-9-14(11-16)18(7-2)12-13(4)5/h13-14,17H,6-12H2,1-5H3
InChIKeyLZOBIDFPBVWMPD-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.43
Rot. Bonds8

About ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate

ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate (PubChem CID 79649720) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate
PubChem CID79649720
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nameethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCC(N(CC)CC(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-6-17-16(15(19)20-8-3)10-9-14(11-16)18(7-2)12-13(4)5/h13-14,17H,6-12H2,1-5H3
InChIKeyLZOBIDFPBVWMPD-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclohexane-1-carboxylate
CID 79626619
ethyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79646666
ethyl 1-(ethylamino)-3-[methyl(propan-2-yl)amino]cyclopentane-1-carboxylate
CID 79650420
ethyl 1-(ethylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylate
CID 79655265
ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79649689
3-[ethyl(2-methylpropyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79650513
ethyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate
CID 82743477
1-(ethylamino)-3-[methyl(2-methylpropyl)amino]cyclopentane-1-carboxamide
CID 79649949
ethyl 1-(ethylamino)-3-methylsulfanylcyclopentane-1-carboxylate
CID 79653865
ethyl 1-(ethylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate
CID 79633705
ethyl 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649561
3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79655731

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate (CID 79649720) is ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate is CCNC1(C(=O)OCC)CCC(N(CC)CC(C)C)C1.
What is the InChIKey of ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate?
The InChIKey is LZOBIDFPBVWMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-17-16(15(19)20-8-3)10-9-14(11-16)18(7-2)12-13(4)5/h13-14,17H,6-12H2,1-5H3.
What are the key properties of ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate?
ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate has a molecular weight of 284.44 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 79649720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).